SCHEMBL8459191

SCHEMBL8459191

COc1ccc(C(N)=Nc2ccccc2C(=O)O)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.53
RARB P10826 3/20 0.53
RARG P13631 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
PGR P06401 1/20 0.53
HSPD1 P10809 1/20 0.53
GOT1 P17174 1/20 0.53
GLRA1 P23415 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC11 Q96DB2 2/20 0.41
HDAC2 Q92769 1/20 0.41
CNR2 P34972 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8459618 0.88 RARA (0.53) RARARARBRARGMEN1KMT2A
SCHEMBL8460300 0.86 RARA (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL8457611 0.86 RARA (0.52) RARARARBRARGMEN1KMT2A
SCHEMBL565789 0.79 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL1082340 0.79 RARA (0.77) RARARARBRARGMEN1KMT2A
SCHEMBL8459230 0.79 RARA (0.54) RARARARBRARGMEN1KMT2A
Benzoic Acid SCHEMBL9268624 0.78 RARA (0.64) RARARARBRARGMEN1KMT2A
Hydrochloric Acid SCHEMBL9124255 0.78 RARA (0.76) RARARARBRARGMEN1KMT2A
SCHEMBL9078617 0.76 RARA (0.64) RARARARBRARGMEN1KMT2A
SCHEMBL8839053 0.76 RARA (0.55) RARARARBRARGMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US claimed
US-5869067-A TREATING DERMATOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1999-02-09 US disclosed
US-5753239-A Bi-aromatic compounds and pharmaceutical and cosmetic compositions CENTRE INTERNATIONAL DE RECHERCHES DEMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1998-05-19 US disclosed